3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde

C17H18O2 — CID 15531554

IUPAC3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(C=O)c1O
InChIInChI=1S/C17H18O2/c1-17(2,3)15-10-13(9-14(11-18)16(15)19)12-7-5-4-6-8-12/h4-11,19H,1-3H3
InChIKeyKYJFTZUYYVDBEW-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.17
Rot. Bonds2

About 3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde

3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde (PubChem CID 15531554) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde.

Molecular Properties

Compound Name3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde
PubChem CID15531554
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(C=O)c1O
InChIInChI=1S/C17H18O2/c1-17(2,3)15-10-13(9-14(11-18)16(15)19)12-7-5-4-6-8-12/h4-11,19H,1-3H3
InChIKeyKYJFTZUYYVDBEW-UHFFFAOYSA-N
XLogP4.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde?
The IUPAC name of 3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde (CID 15531554) is 3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde.
What is the SMILES notation for 3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde?
The canonical SMILES for 3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde is CC(C)(C)c1cc(-c2ccccc2)cc(C=O)c1O.
What is the InChIKey of 3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde?
The InChIKey is KYJFTZUYYVDBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-17(2,3)15-10-13(9-14(11-18)16(15)19)12-7-5-4-6-8-12/h4-11,19H,1-3H3.
What are the key properties of 3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde?
3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde has a molecular weight of 254.33 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde is sourced from PubChem (CID 15531554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).